1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride

C10H12ClNO2 — CID 50988785

IUPAC1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C10H11NO2.ClH/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;/h3-4,6,11H,1-2,5H2,(H,12,13);1H
InChIKeyHMXZDPZGVQDVHM-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.16
Rot. Bonds1

About 1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride

1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride (PubChem CID 50988785) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
PubChem CID50988785
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C10H11NO2.ClH/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;/h3-4,6,11H,1-2,5H2,(H,12,13);1H
InChIKeyHMXZDPZGVQDVHM-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981
2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79814554
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 66177881
N-(2-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 62360933
3-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 93191629
N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 83015501
2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256351
2-methyl-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 79369247
(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79009724
2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 106203130

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride?
The IUPAC name of 1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride (CID 50988785) is 1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc2c(c1)CCCN2.
What is the InChIKey of 1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride?
The InChIKey is HMXZDPZGVQDVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;/h3-4,6,11H,1-2,5H2,(H,12,13);1H.
What are the key properties of 1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride?
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 50988785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).